Publications by authors named "Robert Rallo"

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A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy.
Wendy J Shaw, Michelle K Kidder, Simon R Bare, Massimiliano Delferro, James R Morris, Robert Rallo

Nat Rev Chem· May 2024

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Molecular structural dataset of lignin macromolecule elucidating experimental structural compositions.
Sudha Cheranma Devi Eswaran, Senthil Subramaniam, Udishnu Sanyal, Robert Rallo, Xiao Zhang

Sci Data· October 2022

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Preparing for the next pandemic via transfer learning from existing diseases with hierarchical multi-modal BERT: a study on COVID-19 outcome prediction.
Khushbu Agarwal, Sutanay Choudhury, Sindhu Tipirneni, Pritam Mukherjee, Colby Ham, Robert Rallo

Sci Rep· June 2022

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Robert Rallo

Environ Health Perspect· October 2021

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Robert Rallo

Environ Health Perspect· July 2021

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CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Robert Rallo

Environ Health Perspect· April 2021

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Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS.
Joseph Laureanti, Juan Brandi, Elvis Offor, David Engel, Robert Rallo

Protein Sci· January 2020

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Molecular dynamics simulations of zinc oxide solubility: From bulk down to nanoparticles.
Laura Escorihuela, Alberto Fernández, Robert Rallo, Benjamí Martorell

Food Chem Toxicol· February 2018

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Perspectives from the NanoSafety Modelling Cluster on the validation criteria for (Q)SAR models used in nanotechnology.
Tomasz Puzyn, Nina Jeliazkova, Haralambos Sarimveis, Richard L Marchese Robinson, Vladimir Lobaskin, Robert Rallo

Food Chem Toxicol· February 2018

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An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.
Martin Brehm, Alexander Kafka, Markus Bamler, Ralph Kühne, Gerrit Schüürmann, Robert Rallo

Adv Exp Med Biol· October 2017

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CompNanoTox2015: novel perspectives from a European conference on computational nanotoxicology on predictive nanotoxicology.
Miguel A Bañares, Andrea Haase, Lang Tran, Vladimir Lobaskin, Günter Oberdörster, Robert Rallo

Nanotoxicology· September 2017

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In Silico Design of Optimal Dissolution Kinetics of Fe-Doped ZnO Nanoparticles Results in Cancer-Specific Toxicity in a Preclinical Rodent Model.
Bella B Manshian, Suman Pokhrel, Uwe Himmelreich, Kaido Tämm, Lauri Sikk, Robert Rallo

Adv Healthc Mater· May 2017

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Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials.
Andrey A Toropov, Robert Rallo, Alla P Toropova

Curr Top Med Chem· April 2016

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Predicting Cell Association of Surface-Modified Nanoparticles Using Protein Corona Structure - Activity Relationships (PCSAR).
Padmaja Kamath, Alberto Fernandez, Francesc Giralt, Robert Rallo

Curr Top Med Chem· April 2016

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Quantitative structure-activity relationships for cellular uptake of surface-modified nanoparticles.
Rong Liu, Robert Rallo, Muhammad Bilal, Yoram Cohen

Comb Chem High Throughput Screen· December 2015

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An ISA-TAB-Nano based data collection framework to support data-driven modelling of nanotoxicology.
Richard L Marchese Robinson, Mark T D Cronin, Andrea-Nicole Richarz, Robert Rallo

Beilstein J Nanotechnol· December 2015

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Prioritization of in silico models and molecular descriptors for the assessment of ready biodegradability.
Alberto Fernández, Robert Rallo, Francesc Giralt

Environ Res· October 2015

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Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.
Alla P Toropova, Andrey A Toropov, Robert Rallo, Danuta Leszczynska, Jerzy Leszczynski

Ecotoxicol Environ Saf· February 2015

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Association rule mining of cellular responses induced by metal and metal oxide nanoparticles.
Rong Liu, Bryan France, Saji George, Robert Rallo, Haiyuan Zhang

Analyst· March 2014

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A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH.
Monika Nendza, Silke Gabbert, Ralph Kühne, Anna Lombardo, Alessandra Roncaglioni, Robert Rallo

Regul Toxicol Pharmacol· August 2013

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Development of structure-activity relationship for metal oxide nanoparticles.
Rong Liu, Hai Yuan Zhang, Zhao Xia Ji, Robert Rallo, Tian Xia

Nanoscale· June 2013

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Hierarchical Rank Aggregation with Applications to Nanotoxicology.
Trina Patel, Donatello Telesca, Robert Rallo, Saji George, Tian Xia

J Agric Biol Environ Stat· June 2013

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Nano-SAR development for bioactivity of nanoparticles with considerations of decision boundaries.
Rong Liu, Robert Rallo, Ralph Weissleder, Carlos Tassa, Stanley Shaw

Small· May 2013

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In silico analysis of nanomaterials hazard and risk.
Yoram Cohen, Robert Rallo, Rong Liu, Haoyang Haven Liu

Acc Chem Res· March 2013

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Quantitative consensus of bioaccumulation models for integrated testing strategies.
Alberto Fernández, Anna Lombardo, Robert Rallo, Alessandra Roncaglioni, Francesc Giralt

Environ Int· September 2012

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